Effect of local structure on electron paramagnetic resonance spectra for trigonal [Cr(H2O)(6)](3+) coordination complex in the sulfate alums series: a ligand field theory study
文献类型：期刊论文
| 作者 | Li Yan-Fang2; Kuang Xiao-Yu1,2; Gao Ming-Liang2; Zhao Ya-Ru2; Wang Huai-Qian2 |
| 刊名 | CHINESE PHYSICS B
 |
| 出版日期 | 2009-07-01 |
| 卷号 | 18期号:7页码:2967-2974 |
| 关键词 | complete energy matrices electron paramagnetic resonance (EPR) spectra local structure |
| ISSN号 | 1674-1056 |
| 通讯作者 | Li Yan-Fang() |
| 英文摘要 | A simple theoretical method is introduced for studying the inter relation between electronic and molecular structures. By diagonalizing the 120x120 complete energy matrices, the relationships between zero-field splitting (ZFS) parameter D and local distortion parameter Delta theta for Cr3+ ions doped, separately, in alpha- and beta- alums are investigated. Our results indicate that there exists an approximately linear relationship between D and Delta theta in a temperature range 4.2-297 K and the signs of D and Delta theta are opposite to each other. Moreover, in order to understand the contribution of spin-orbit coupling coefficient zeta to ZFS parameter D, the relation between D and zeta is also discussed. |
| 资助项目 | National Natural Science Foundation of China[10774103] ; Doctoral Education Fund of Education Ministry of China[20050610011] |
| WOS研究方向 | Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000267821200058 |
| 出版者 | IOP PUBLISHING LTD |
| 资助机构 | National Natural Science Foundation of China ; Doctoral Education Fund of Education Ministry of China |
| 源URL | [http://ir.imr.ac.cn/handle/321006/98996]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 通讯作者 | Li Yan-Fang |
| 作者单位 | 1.Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110016, Peoples R China 2.Sichuan Univ, Inst Atom & Mol Phys, Chengdu 610065, Peoples R China |
| 推荐引用方式 GB/T 7714 | Li Yan-Fang,Kuang Xiao-Yu,Gao Ming-Liang,et al. Effect of local structure on electron paramagnetic resonance spectra for trigonal [Cr(H2O)(6)](3+) coordination complex in the sulfate alums series: a ligand field theory study[J]. CHINESE PHYSICS B,2009,18(7):2967-2974. |
| APA | Li Yan-Fang,Kuang Xiao-Yu,Gao Ming-Liang,Zhao Ya-Ru,&Wang Huai-Qian.(2009).Effect of local structure on electron paramagnetic resonance spectra for trigonal [Cr(H2O)(6)](3+) coordination complex in the sulfate alums series: a ligand field theory study.CHINESE PHYSICS B,18(7),2967-2974. |
| MLA | Li Yan-Fang,et al."Effect of local structure on electron paramagnetic resonance spectra for trigonal [Cr(H2O)(6)](3+) coordination complex in the sulfate alums series: a ligand field theory study".CHINESE PHYSICS B 18.7(2009):2967-2974. |
入库方式： OAI收割
来源：金属研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。